3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-[(2-methoxy-5-nitro-phenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(2-methoxy-5-nitrophenyl)methylthio]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-[(2-methoxy-5-nitro-benzyl)thio]-1,2,4-triazole Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NN=C(N2CC=C)CC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-3-11-23-19(12-15-7-5-4-6-8-15)21-22-20(23)28-14-16-13-17(24(25)26)9-10-18(16)27-2/h3-10,13H,1,11-12,14H2,2H3